bis[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)methylidene]propanedioate

Systemtic Name: bis[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)methylidene]propanedioate Openeye Name: bis[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-[(3-nitrophenyl)methylene]propanedioate CAS Name: 2-[(3-nitrophenyl)methylidene]propanedioic acid bis[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: bis[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(3-nitrophenyl)methylidene]propanedioate Traditional Name: 2-(3-nitrobenzylidene)malonic acid bis[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C28H21Br2NO10 MolecularWeight: 691.27504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br)Br

InChI

InChI=1S/C28H21Br2NO10/c1-38-25-8-6-17(12-21(25)29)23(32)14-40-27(34)20(11-16-4-3-5-19(10-16)31(36)37)28(35)41-15-24(33)18-7-9-26(39-2)22(30)13-18/h3-13H,14-15H2,1-2H3